Special Issue "Understanding the Nanoparticle-Biomolecule Interactions: Insight Form Computational Modelling and Atomistic Simulations"
Deadline for manuscript submissions: closed (29 November 2019).
Interests: computational chemistry; computational spectroscopy; rational drug design; molecular dynamics; DFT; quantitative-structure activity relationships; protein-nanoparticle interactions
Special Issues, Collections and Topics in MDPI journals
Nanoparticles are enjoying rapid growth as promising tools for biomedical applications in the field of imaging, targeting, therapy and in vitro diagnostics.
In order to fully exploit their potential and reduce the gap between bench discoveries and clinical applications, precise control of the biological activity and the fate of nanoparticles is necessary. It is well-accepted that the actual biological identity of nanoparticles is provided by the adsorbed molecules on their surfaces, i.e. the biomolecular corona around nanoparticles, therefore, there is an urgent need to deepen our understending of the mechanisms that govern the interatomic interactions between nanoparticles and biological molecules.
Computational simulation provides fundamental knowledge enabling us to unravel the underlying principles and elucidate the molecular mechanisms of specific interactions and of the dynamics that nanoparticles induce on biological molecules upon binding.
This Special Issue will cover some of the recent significant advances in the field of modelling and computational simulations of the interactions between nanoparticles and biomolecules. Reviews, full papers and short communications covering the methodological and theoretical aspects and interdisciplinary approaches underlying the potential interpretation of experimental data and applications are all welcome.
Prof. Maria Cristina Menziani
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Nanoparticle biomolecule interactions
- Nanoparticle DNA interactions
- Nanoparticle membrane interactions
- Structure-function relationships
- Advanced molecular modelling techniques
- Molecular dynamics simulations